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CHEBI:126373 - 1-[(1R)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

ChEBI IDCHEBI:126373
ChEBI Name1-[(1R)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
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DownloadsMolfile
FormulaC27H32FN3O3
Net Charge0
Average Mass465.569
Monoisotopic Mass465.24277
SMILESCCCC(=O)N1CC2(C1)CN(Cc1ccccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C27H32FN3O3/c1-4-7-24(33)31-16-27(17-31)15-30(13-18-8-5-6-9-21(18)28)23(14-32)26-25(27)20-11-10-19(34-3)12-22(20)29(26)2/h5-6,8-12,23,32H,4,7,13-17H2,1-3H3/t23-/m0/s1
InChIKeySOJPOESEEXJHAY-QHCPKHFHSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-[(1R)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone (CHEBI:126373) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37938LINCS